Home Other Building Blocks 2-[4-(methylsulfanyl)phenoxy]propanoic acid

2-[4-(methylsulfanyl)phenoxy]propanoic acid

CAS No.:
3364-90-7
Catalog Number:
AG01AKBB
Molecular Formula:
C10H12O3S
Molecular Weight:
212.2655
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Product Description
Catalog Number:
AG01AKBB
Chemical Name:
2-[4-(methylsulfanyl)phenoxy]propanoic acid
CAS Number:
3364-90-7
Molecular Formula:
C10H12O3S
Molecular Weight:
212.2655
MDL Number:
MFCD18854587
IUPAC Name:
2-(4-methylsulfanylphenoxy)propanoic acid
InChI:
InChI=1S/C10H12O3S/c1-7(10(11)12)13-8-3-5-9(14-2)6-4-8/h3-7H,1-2H3,(H,11,12)
InChI Key:
MEWMSMRFZJJBNA-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)OC(C(=O)O)C
Properties
Complexity:
188  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.051g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
212.263g/mol
Monoisotopic Mass:
212.051g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties